2-[(9-oxofluorene-4-carbonyl)amino]-3-phenylpropanoic acid

C23H17NO4 — CID 4908821

IUPAC2-[(9-oxofluorene-4-carbonyl)amino]-3-phenylpropanoic acid
SMILESO=C(NC(Cc1ccccc1)C(=O)O)c1cccc2c1-c1ccccc1C2=O
InChIInChI=1S/C23H17NO4/c25-21-16-10-5-4-9-15(16)20-17(21)11-6-12-18(20)22(26)24-19(23(27)28)13-14-7-2-1-3-8-14/h1-12,19H,13H2,(H,24,26)(H,27,28)
InChIKeyCIAIDQZONHTBIP-UHFFFAOYSA-N
MW371.39 g/mol
LogP3.32
Rot. Bonds5

About 2-[(9-oxofluorene-4-carbonyl)amino]-3-phenylpropanoic acid

2-[(9-oxofluorene-4-carbonyl)amino]-3-phenylpropanoic acid (PubChem CID 4908821) has the molecular formula C23H17NO4 and a molecular weight of 371.39 g/mol. Its IUPAC name is 2-[(9-oxofluorene-4-carbonyl)amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-[(9-oxofluorene-4-carbonyl)amino]-3-phenylpropanoic acid
PubChem CID4908821
Molecular FormulaC23H17NO4
Molecular Weight371.39 g/mol
Exact Mass371.12
IUPAC Name2-[(9-oxofluorene-4-carbonyl)amino]-3-phenylpropanoic acid
SMILESO=C(NC(Cc1ccccc1)C(=O)O)c1cccc2c1-c1ccccc1C2=O
InChIInChI=1S/C23H17NO4/c25-21-16-10-5-4-9-15(16)20-17(21)11-6-12-18(20)22(26)24-19(23(27)28)13-14-7-2-1-3-8-14/h1-12,19H,13H2,(H,24,26)(H,27,28)
InChIKeyCIAIDQZONHTBIP-UHFFFAOYSA-N
XLogP3.32
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[(9-oxofluorene-4-carbonyl)amino]-3-phenylpropanoyl]amino]acetic acid
CID 4839560
4-methyl-2-[(9-oxofluorene-4-carbonyl)amino]pentanoic acid
CID 4974681
2-[[(1R)-1-carboxy-2-phenylethyl]carbamoyl]benzoic acid
CID 149148944
2-[(2,3-dimethylbenzoyl)amino]-3-phenylpropanoic acid
CID 16786218
3-methyl-2-[(9-oxofluorene-4-carbonyl)amino]pentanoic acid
CID 4907234
acetyl chloride;2-[(2-methylbenzoyl)amino]-3-phenylpropanoic acid
CID 174997492
(2R)-2-[(2-benzamidobenzoyl)amino]-3-phenylpropanoic acid
CID 1366278
N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-2-phenylbenzamide
CID 54553924
3-phenyl-2-(pyridazine-4-carbonylamino)propanoic acid
CID 115909603
3-phenyl-2-[[2-[[2-[(2-phenylacetyl)amino]benzoyl]amino]benzoyl]amino]propanoic acid
CID 11827463
(2S)-3-phenyl-2-[[3-(2-phenylethyl)benzoyl]amino]propanoic acid
CID 101236602
(2R)-2-[(2,5-dimethylfuran-3-carbonyl)amino]-3-phenylpropanoic acid
CID 801853

Frequently Asked Questions

What is the IUPAC name of 2-[(9-oxofluorene-4-carbonyl)amino]-3-phenylpropanoic acid?
The IUPAC name of 2-[(9-oxofluorene-4-carbonyl)amino]-3-phenylpropanoic acid (CID 4908821) is 2-[(9-oxofluorene-4-carbonyl)amino]-3-phenylpropanoic acid.
What is the SMILES notation for 2-[(9-oxofluorene-4-carbonyl)amino]-3-phenylpropanoic acid?
The canonical SMILES for 2-[(9-oxofluorene-4-carbonyl)amino]-3-phenylpropanoic acid is O=C(NC(Cc1ccccc1)C(=O)O)c1cccc2c1-c1ccccc1C2=O.
What is the InChIKey of 2-[(9-oxofluorene-4-carbonyl)amino]-3-phenylpropanoic acid?
The InChIKey is CIAIDQZONHTBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO4/c25-21-16-10-5-4-9-15(16)20-17(21)11-6-12-18(20)22(26)24-19(23(27)28)13-14-7-2-1-3-8-14/h1-12,19H,13H2,(H,24,26)(H,27,28).
What are the key properties of 2-[(9-oxofluorene-4-carbonyl)amino]-3-phenylpropanoic acid?
2-[(9-oxofluorene-4-carbonyl)amino]-3-phenylpropanoic acid has a molecular weight of 371.39 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(9-oxofluorene-4-carbonyl)amino]-3-phenylpropanoic acid is sourced from PubChem (CID 4908821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).